3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole

C22H19N3O4 — CID 2018296

IUPAC3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2ccc(-c3noc(-c4ccccc4OC)n3)c(OC)n2)c1
InChIInChI=1S/C22H19N3O4/c1-26-15-8-6-7-14(13-15)18-12-11-17(21(23-18)28-3)20-24-22(29-25-20)16-9-4-5-10-19(16)27-2/h4-13H,1-3H3
InChIKeyMMWKKDBQJNIXBR-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.49
Rot. Bonds6

About 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole

3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2018296) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID2018296
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2ccc(-c3noc(-c4ccccc4OC)n3)c(OC)n2)c1
InChIInChI=1S/C22H19N3O4/c1-26-15-8-6-7-14(13-15)18-12-11-17(21(23-18)28-3)20-24-22(29-25-20)16-9-4-5-10-19(16)27-2/h4-13H,1-3H3
InChIKeyMMWKKDBQJNIXBR-UHFFFAOYSA-N
XLogP4.49
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 664819
5-(2-bromophenyl)-3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2029273
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 986623
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 664499
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 913860
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 1297936
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 664211
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 2018296) is 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2ccc(-c3noc(-c4ccccc4OC)n3)c(OC)n2)c1.
What is the InChIKey of 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is MMWKKDBQJNIXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-26-15-8-6-7-14(13-15)18-12-11-17(21(23-18)28-3)20-24-22(29-25-20)16-9-4-5-10-19(16)27-2/h4-13H,1-3H3.
What are the key properties of 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 389.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2018296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).